1,1-diphenyl-N-(thian-2-ylmethyl)methanamine

C19H23NS — CID 80594842

IUPAC1,1-diphenyl-N-(thian-2-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H23NS/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-15-18-13-7-8-14-21-18/h1-6,9-12,18-20H,7-8,13-15H2
InChIKeyWSIYIMDQCOVEEL-UHFFFAOYSA-N
MW297.47 g/mol
LogP4.65
Rot. Bonds5

About 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine

1,1-diphenyl-N-(thian-2-ylmethyl)methanamine (PubChem CID 80594842) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-diphenyl-N-(thian-2-ylmethyl)methanamine
PubChem CID80594842
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Name1,1-diphenyl-N-(thian-2-ylmethyl)methanamine
SMILESc1ccc(C(NCC2CCCCS2)c2ccccc2)cc1
InChIInChI=1S/C19H23NS/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-15-18-13-7-8-14-21-18/h1-6,9-12,18-20H,7-8,13-15H2
InChIKeyWSIYIMDQCOVEEL-UHFFFAOYSA-N
XLogP4.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80596152
2-phenyl-3-(thian-2-ylmethylamino)propanoic acid
CID 80600296
1-phenyl-N-(thiolan-2-ylmethyl)pentan-1-amine
CID 80584230
N-(cyclobutylmethyl)-1,1-diphenylmethanamine
CID 43298339
1-phenyl-N-(thiolan-2-ylmethyl)hexan-1-amine
CID 80584364
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
N-(thian-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 80601126
1-(3-chloro-4-fluorophenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80594883
4-[1-(thian-2-ylmethylamino)propyl]phenol
CID 80601142
2-benzyl-1-(thian-2-ylmethyl)guanidine
CID 130166828
1-(4-methylsulfonylphenyl)-N-(thian-2-ylmethyl)ethanamine
CID 80595105
N-(thian-2-ylmethyl)-9H-fluoren-9-amine
CID 80595574

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine?
The IUPAC name of 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine (CID 80594842) is 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine is c1ccc(C(NCC2CCCCS2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine?
The InChIKey is WSIYIMDQCOVEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NS/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)20-15-18-13-7-8-14-21-18/h1-6,9-12,18-20H,7-8,13-15H2.
What are the key properties of 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine?
1,1-diphenyl-N-(thian-2-ylmethyl)methanamine has a molecular weight of 297.47 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(thian-2-ylmethyl)methanamine is sourced from PubChem (CID 80594842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).